A Novel Potential Therapeutic Avenue for Autism: Design, Synthesis and Pharmacophore Generation of SSRIs with Dual Action
- A Novel Potential Therapeutic Avenue for Autism: Design, Synthesis and Pharmacophore Generation of SSRIs with Dual Action
- Ola M. Ghoneima; Diaa A. Ibrahim; Ibrahim M. El-Deeb; 이소하; Raymond G. Booth
- Autism; Selective Serotonin Reuptake Inhibitors; Pharmacophore; SSRIs
- Issue Date
- Bioorganic & medicinal chemistry letters
- VOL 21, NO 22, 6714-6723
- Autism symptoms are currently modulated by Selective Serotonin Reuptake Inhibitors (SSRIs). SSRIs slow
onset of action limits their efficiency. The established synergistic activity of SSRIs and 5HT1B/1D autoreceptors
antagonists motivated us to incorporate SSRIs and 5HT1B/1D antagonists in one ‘hybrid’ molecule.
A library of virtual ‘hybrid’ molecules was designed using the tethering technique. A pharmacophore
model was generated derived from 16 structurally diverse SSRIs (Ki = 0.013–5000 nM) and used as 3D
query. Compounds with fit values (≥2) were chosen for synthesis and subsequent in vitro biological evaluation.
Our pharmacophore model is a promising milestone to a class of SSRIs with dual action.
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